REMARK Name = BDB045398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.261 -1.449 1.091 0.00 0.00 -0.030 A ATOM 2 C LIG 1 1.093 -2.407 0.084 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.094 -2.254 -0.883 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.749 -1.135 -0.874 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -0.576 -0.179 0.140 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.421 -0.330 1.106 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -1.871 -0.948 -1.887 0.00 0.00 +0.050 C ATOM 8 C LIG 1 -3.146 -1.694 -1.442 0.00 0.00 +0.140 C ATOM 9 C LIG 1 -3.115 -3.194 -1.821 0.00 0.00 +0.113 C ATOM 10 N LIG 1 -2.383 -3.537 -3.051 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -2.848 -4.319 -3.511 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -2.295 -2.407 -3.966 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -1.485 -1.266 -3.350 0.00 0.00 +0.026 C BRANCH 8 14 ATOM 14 O LIG 1 -4.267 -1.052 -2.090 0.00 0.00 -0.370 OA BRANCH 14 15 ATOM 15 C LIG 1 -5.444 -1.012 -1.280 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 -5.361 0.087 -0.247 0.00 0.00 -0.021 A ATOM 17 C LIG 1 -4.908 1.367 -0.603 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -4.817 2.399 0.345 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -5.202 2.146 1.681 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -5.109 3.177 2.630 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -4.641 4.441 2.266 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.262 4.690 0.951 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.670 0.869 2.029 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -4.349 3.676 -0.004 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -5.751 -0.148 1.075 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 2.357 -1.593 2.111 0.00 0.00 +0.139 C BRANCH 26 28 ATOM 27 C LIG 1 4.610 -0.740 2.545 0.00 0.00 +0.244 C ATOM 28 N LIG 1 3.533 -0.866 1.696 0.00 0.00 -0.307 N ATOM 29 H LIG 1 3.668 -0.739 0.703 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 4.611 -1.162 3.696 0.00 0.00 -0.270 OA BRANCH 27 34 ATOM 31 C LIG 1 8.161 1.116 0.985 0.00 0.00 +0.120 A ATOM 32 C LIG 1 8.228 0.198 2.035 0.00 0.00 +0.046 A ATOM 33 C LIG 1 7.068 -0.397 2.537 0.00 0.00 +0.016 A ATOM 34 C LIG 1 5.824 -0.086 1.981 0.00 0.00 +0.037 A ATOM 35 C LIG 1 5.751 0.845 0.937 0.00 0.00 +0.016 A ATOM 36 C LIG 1 6.918 1.440 0.439 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 37 C LIG 1 9.356 2.588 -0.452 0.00 0.00 +0.277 C ATOM 38 O LIG 1 9.369 1.623 0.592 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 27 34 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8